1-cyclobutyl-N-[1-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]ethenyl]-4-methylpent-4-en-2-amine;1-N-(2,5-dimethyl-6-methylideneoctan-3-yl)-1-N'-(2,5,5-trimethylhept-1-en-4-yl)ethene-1,1-diamine;prop-1-ene

C46H83N3 — CID 143358142

IUPAC1-cyclobutyl-N-[1-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]ethenyl]-4-methylpent-4-en-2-amine;1-N-(2,5-dimethyl-6-methylideneoctan-3-yl)-1-N'-(2,5,5-trimethylhept-1-en-4-yl)ethene-1,1-diamine;prop-1-ene
SMILESC=C(C)CC(CC1CCC1)NC(=C)C1CC[C@H]2[C@@H]1C2(C)C.C=C(C)CC(NC(=C)NC(CC(C)C(=C)CC)C(C)C)C(C)(C)CC.C=CC
InChIInChI=1S/C23H44N2.C20H33N.C3H6/c1-12-18(7)19(8)15-21(17(5)6)24-20(9)25-22(14-16(3)4)23(10,11)13-2;1-13(2)11-16(12-15-7-6-8-15)21-14(3)17-9-10-18-19(17)20(18,4)5;1-3-2/h17,19,21-22,24-25H,3,7,9,12-15H2,1-2,4-6,8,10-11H3;15-19,21H,1,3,6-12H2,2,4-5H3;3H,1H2,2H3/t;16?,17?,18-,19+;/m.0./s1
InChIKeyLFVPNSUFDDNENY-YCMHPAAVSA-N
MW678.19 g/mol
LogP12.91
Rot. Bonds20

About 1-cyclobutyl-N-[1-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]ethenyl]-4-methylpent-4-en-2-amine;1-N-(2,5-dimethyl-6-methylideneoctan-3-yl)-1-N'-(2,5,5-trimethylhept-1-en-4-yl)ethene-1,1-diamine;prop-1-ene

1-cyclobutyl-N-[1-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]ethenyl]-4-methylpent-4-en-2-amine;1-N-(2,5-dimethyl-6-methylideneoctan-3-yl)-1-N'-(2,5,5-trimethylhept-1-en-4-yl)ethene-1,1-diamine;prop-1-ene (PubChem CID 143358142) has the molecular formula C46H83N3 and a molecular weight of 678.19 g/mol. Its IUPAC name is 1-cyclobutyl-N-[1-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]ethenyl]-4-methylpent-4-en-2-amine;1-N-(2,5-dimethyl-6-methylideneoctan-3-yl)-1-N'-(2,5,5-trimethylhept-1-en-4-yl)ethene-1,1-diamine;prop-1-ene.

Molecular Properties

Compound Name1-cyclobutyl-N-[1-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]ethenyl]-4-methylpent-4-en-2-amine;1-N-(2,5-dimethyl-6-methylideneoctan-3-yl)-1-N'-(2,5,5-trimethylhept-1-en-4-yl)ethene-1,1-diamine;prop-1-ene
PubChem CID143358142
Molecular FormulaC46H83N3
Molecular Weight678.19 g/mol
Exact Mass677.66
IUPAC Name1-cyclobutyl-N-[1-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]ethenyl]-4-methylpent-4-en-2-amine;1-N-(2,5-dimethyl-6-methylideneoctan-3-yl)-1-N'-(2,5,5-trimethylhept-1-en-4-yl)ethene-1,1-diamine;prop-1-ene
SMILESC=C(C)CC(CC1CCC1)NC(=C)C1CC[C@H]2[C@@H]1C2(C)C.C=C(C)CC(NC(=C)NC(CC(C)C(=C)CC)C(C)C)C(C)(C)CC.C=CC
InChIInChI=1S/C23H44N2.C20H33N.C3H6/c1-12-18(7)19(8)15-21(17(5)6)24-20(9)25-22(14-16(3)4)23(10,11)13-2;1-13(2)11-16(12-15-7-6-8-15)21-14(3)17-9-10-18-19(17)20(18,4)5;1-3-2/h17,19,21-22,24-25H,3,7,9,12-15H2,1-2,4-6,8,10-11H3;15-19,21H,1,3,6-12H2,2,4-5H3;3H,1H2,2H3/t;16?,17?,18-,19+;/m.0./s1
InChIKeyLFVPNSUFDDNENY-YCMHPAAVSA-N
XLogP12.91
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.19
LogP ≤ 512.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-cyclobutyl-N-[1-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]ethenyl]-4-methylpent-4-en-2-amine;1-N-(2,5-dimethyl-6-methylideneoctan-3-yl)-1-N'-(2,5,5-trimethylhept-1-en-4-yl)ethene-1,1-diamine;prop-1-ene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[1-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]ethenyl]-4-methylpent-4-en-2-amine;1-N-(2,5-dimethyl-6-methylideneoctan-3-yl)-1-N'-(2,5,5-trimethylhept-1-en-4-yl)ethene-1,1-diamine;prop-1-ene?
The IUPAC name of 1-cyclobutyl-N-[1-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]ethenyl]-4-methylpent-4-en-2-amine;1-N-(2,5-dimethyl-6-methylideneoctan-3-yl)-1-N'-(2,5,5-trimethylhept-1-en-4-yl)ethene-1,1-diamine;prop-1-ene (CID 143358142) is 1-cyclobutyl-N-[1-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]ethenyl]-4-methylpent-4-en-2-amine;1-N-(2,5-dimethyl-6-methylideneoctan-3-yl)-1-N'-(2,5,5-trimethylhept-1-en-4-yl)ethene-1,1-diamine;prop-1-ene.
What is the SMILES notation for 1-cyclobutyl-N-[1-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]ethenyl]-4-methylpent-4-en-2-amine;1-N-(2,5-dimethyl-6-methylideneoctan-3-yl)-1-N'-(2,5,5-trimethylhept-1-en-4-yl)ethene-1,1-diamine;prop-1-ene?
The canonical SMILES for 1-cyclobutyl-N-[1-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]ethenyl]-4-methylpent-4-en-2-amine;1-N-(2,5-dimethyl-6-methylideneoctan-3-yl)-1-N'-(2,5,5-trimethylhept-1-en-4-yl)ethene-1,1-diamine;prop-1-ene is C=C(C)CC(CC1CCC1)NC(=C)C1CC[C@H]2[C@@H]1C2(C)C.C=C(C)CC(NC(=C)NC(CC(C)C(=C)CC)C(C)C)C(C)(C)CC.C=CC.
What is the InChIKey of 1-cyclobutyl-N-[1-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]ethenyl]-4-methylpent-4-en-2-amine;1-N-(2,5-dimethyl-6-methylideneoctan-3-yl)-1-N'-(2,5,5-trimethylhept-1-en-4-yl)ethene-1,1-diamine;prop-1-ene?
The InChIKey is LFVPNSUFDDNENY-YCMHPAAVSA-N. The full InChI is InChI=1S/C23H44N2.C20H33N.C3H6/c1-12-18(7)19(8)15-21(17(5)6)24-20(9)25-22(14-16(3)4)23(10,11)13-2;1-13(2)11-16(12-15-7-6-8-15)21-14(3)17-9-10-18-19(17)20(18,4)5;1-3-2/h17,19,21-22,24-25H,3,7,9,12-15H2,1-2,4-6,8,10-11H3;15-19,21H,1,3,6-12H2,2,4-5H3;3H,1H2,2H3/t;16?,17?,18-,19+;/m.0./s1.
What are the key properties of 1-cyclobutyl-N-[1-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]ethenyl]-4-methylpent-4-en-2-amine;1-N-(2,5-dimethyl-6-methylideneoctan-3-yl)-1-N'-(2,5,5-trimethylhept-1-en-4-yl)ethene-1,1-diamine;prop-1-ene?
1-cyclobutyl-N-[1-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]ethenyl]-4-methylpent-4-en-2-amine;1-N-(2,5-dimethyl-6-methylideneoctan-3-yl)-1-N'-(2,5,5-trimethylhept-1-en-4-yl)ethene-1,1-diamine;prop-1-ene has a molecular weight of 678.19 g/mol, XLogP of 12.91, 20 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[1-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]ethenyl]-4-methylpent-4-en-2-amine;1-N-(2,5-dimethyl-6-methylideneoctan-3-yl)-1-N'-(2,5,5-trimethylhept-1-en-4-yl)ethene-1,1-diamine;prop-1-ene is sourced from PubChem (CID 143358142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).